Publikationen von Klaus Hermann
Alle Typen
Zeitschriftenartikel (108)
2013
Zeitschriftenartikel
Amakawa, K., L. Sun, C. Guo, M. Hävecker, P. Kube, , , , , K. Hermann, R. Schlögl und A. Trunschke: Der Einfluss von strukturellen Spannungen auf die Reaktivität von getragenen Metalloxidkatalysatoren. Angewandte Chemie 125 (51), 13796–13800 (2013).
Zeitschriftenartikel
Gruber, M. und K. Hermann: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on adsorbate diffusion and dehydrogenation at vanadium oxide substrate. The Journal of Chemical Physics 138 (19), 194701 (2013).
Zeitschriftenartikel
Gruber, M. und K. Hermann: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reactant adsorption at vanadium oxide substrate. The Journal of Chemical Physics 138 (9), 094704 (2013).
Zeitschriftenartikel
Gruber, M. und K. Hermann: Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reaction paths and energetics at vanadium oxide substrate. The Journal of Chemical Physics 139 (24), 244701 (2013).
Zeitschriftenartikel
Khavryuchenko, O., B. Frank, A. Trunschke, K. Hermann und R. Schlögl: Quantum-chemical investigation of hydrocarbon oxidative dehydrogenation over spin-active carbon catalyst clusters. The Journal of Physical Chemistry C 117 (12), 6225–6234 (2013).
2012
Zeitschriftenartikel
K. Hermann, , und : Self-metalation of 2H-tetraphenylporphyrin on Cu(111): An x-ray spectroscopy study. The Journal of Chemical Physics 136 (1), 014705 (2012).
, , ,
Zeitschriftenartikel
Guo, C., K. Hermann, M. Hävecker, A. Trunschke und R. Schlögl: Silica-Supported Titania Species: Structural Analysis from Quantum Theory and X-ray Spectroscopy. The Journal of Physical Chemistry C 116 (42), 22449–22457 (2012).
Zeitschriftenartikel
Guo, C., L. Sun, K. Hermann, , und : X-ray absorption from large molecules at metal surfaces: Theoretical and experimental results for Co-OEP on Ni(100). The Journal of Chemical Physics 137 (19), 194703 (2012).
Zeitschriftenartikel
Hermann, K.: Periodic overlayers and moiré patterns: theoretical studies of geometric properties. Journal of Physics: Condensed Matter 24 (31), 314210 (2012).
2011
Zeitschriftenartikel
Guo, C., K. Hermann, M. Hävecker, J.P. Thielemann, P. Kube, , A. Trunschke, und R. Schlögl: Structural Analysis of Silica-Supported Molybdena Based on X-ray Spectroscopy: Quantum Theory and Experiment. The Journal of Physical Chemistry C 115, 15449–15458 (2011).
2010
Zeitschriftenartikel
Shi, X.-R., und K. Hermann: CO and NO Adsorption and Dissociation at the Β-Mo2C(0001) Surface: A Density Functional Theory Study. The Journal of Physical Chemistry C 114, 13630–13641 (2010).
Zeitschriftenartikel
Shi, X.-R., und K. Hermann: Theoretical cluster studies on the catalytic sulfidation of MoO3. Journal of Physical Chemistry C 114 (14), 6791–6801 (2010).
Zeitschriftenartikel
K. Hermann, , und : Complex Molecules on a Flat Metal Surface: Large Distortions Induced by Chemisorption Can Make Physisorption Energetically More Favorable. The Journal of Physical Chemistry Letters 1, 2974–2979 (2010).
, , ,
Zeitschriftenartikel
K. Hermann, , , , , , und : A standard format for reporting atomic positions: Further needs and options. Surface Science 604 (19-20), 1544–1547 (2010).
, 2009
Zeitschriftenartikel
Cavalleri, M., K. Hermann, A. Knop-Gericke, M. Hävecker, R. Herbert, C. Hess, A. Oestereich, und R. Schlögl: Analysis of silica-supported vanadia by X-ray absorption spectroscopy: Combined theoretical and experimental studies. Journal of Catalysis 262 (2), 215–223 (2009).
Zeitschriftenartikel
Hävecker, M., M. Cavalleri, R. Herbert, , A. Knop-Gericke, C. Hess, K. Hermann und R. Schlögl: Methodology for the structural characterisation of VxOy species supported on silica under reaction conditions by means of in situ O K-edge X-ray absorption spectroscopy. Physica Status Solidi B 246 (7), 1459–1469 (2009).
Zeitschriftenartikel
K. Hermann: Electronic structure of unsaturated V2O5(001) and (100) surfaces: Ab initio density functional theory studies. Topics in Catalysis 52 (8), 1105–1115 (2009).
, und
Zeitschriftenartikel
K. Hermann und : Temperature, surface, and coverage-induced conformational changes of azobenzene derivatives on Cu(001). Journal of Physical Chemistry C 113 (47), 20307–20315 (2009).
, , , , , ,
Zeitschriftenartikel
Shi, X.-R., , K. Hermann und : CO hydrogenation reaction on sulfided molybdenum catalysts. Journal of Molecular Catalysis A 312 (1-2), 7–17 (2009).
2008
Zeitschriftenartikel
Kröger, E.A., D.I. Sayago, , , M. Polcik, W. Unterberger, , , , M. Cavalleri, K. Hermann und : The local structure of OH species on the V2O3(0001) surface: A scanned-energy mode photoelectron diffraction study. Surface Science 602 (6), 1267–1279 (2008).